2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

C49H31N3O — CID 155481357

IUPAC2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3O/c1-2-12-34(13-3-1)40-17-6-7-19-43(40)48-50-47(51-49(52-48)44-22-11-21-42-41-18-8-9-23-45(41)53-46(42)44)37-30-26-33(27-31-37)32-24-28-36(29-25-32)39-20-10-15-35-14-4-5-16-38(35)39/h1-31H
InChIKeyGENGRVQLXRKGQH-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 155481357) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID155481357
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3O/c1-2-12-34(13-3-1)40-17-6-7-19-43(40)48-50-47(51-49(52-48)44-22-11-21-42-41-18-8-9-23-45(41)53-46(42)44)37-30-26-33(27-31-37)32-24-28-36(29-25-32)39-20-10-15-35-14-4-5-16-38(35)39/h1-31H
InChIKeyGENGRVQLXRKGQH-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442183
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (CID 155481357) is 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is GENGRVQLXRKGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-12-34(13-3-1)40-17-6-7-19-43(40)48-50-47(51-49(52-48)44-22-11-21-42-41-18-8-9-23-45(41)53-46(42)44)37-30-26-33(27-31-37)32-24-28-36(29-25-32)39-20-10-15-35-14-4-5-16-38(35)39/h1-31H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155481357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).